Molecule ID: mol9171
SMILES: CC(Br)=CC(=O)O
InChI: InChI=1S/C4H5BrO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 3.74 | OCHEM | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.98 | IUPAC digitized pKa | 0 » -1 |